2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

C17H22ClN3 — CID 81146369

IUPAC2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCCNCc1ccc(N(C)CCc2ccccn2)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-3-19-13-14-7-8-17(16(18)12-14)21(2)11-9-15-6-4-5-10-20-15/h4-8,10,12,19H,3,9,11,13H2,1-2H3
InChIKeyZZXRECMOFXYUEM-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.52
Rot. Bonds7

About 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 81146369) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID81146369
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCCNCc1ccc(N(C)CCc2ccccn2)c(Cl)c1
InChIInChI=1S/C17H22ClN3/c1-3-19-13-14-7-8-17(16(18)12-14)21(2)11-9-15-6-4-5-10-20-15/h4-8,10,12,19H,3,9,11,13H2,1-2H3
InChIKeyZZXRECMOFXYUEM-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 114847708
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
4-(bromomethyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 107079644
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (CID 81146369) is 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is CCNCc1ccc(N(C)CCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is ZZXRECMOFXYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-19-13-14-7-8-17(16(18)12-14)21(2)11-9-15-6-4-5-10-20-15/h4-8,10,12,19H,3,9,11,13H2,1-2H3.
What are the key properties of 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 303.84 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylaminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 81146369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).